| Record Information |
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| HMDB Status | quantified |
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| Creation Date | 2024-02-20 23:34:22 UTC |
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| Update Date | 2025-03-21 17:56:35 UTC |
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| HMDB ID | HMDB0001925 |
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| Metabolite Identification |
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| DeepMet ID | DMID00002333 |
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| Name | Ibuprofen |
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| Frequency | 2611.0 |
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| Structure | |
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| Chemical Formula | C13H18O2 |
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| Molecular Mass | 206.1307 |
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| SMILES | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
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| InChI Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | phenylpropanoids and polyketides |
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| Class | phenylpropanoic acids |
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| Subclass | phenylpropanoic acids |
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| Direct Parent | phenylpropanoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
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| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
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